Innovation of System Biological Approach in Computational Drug Discovery

Abstract

—Computational methods like classification and network-based algorithms can be used to understand the mode of action and the efficacy of a given compound and to help elucidating the patho-physiology of a disease. In the pharmacological industry there has already been a shift from symptomatic oriented drugs that can relieve the symptoms but not the cause of the disease to pathologybased drugs whose targets are the genes and proteins involved in the etiology of the disease. Drugs targeting the affected pathway have thus the potential to become therapeutic. A network approach to drug design would examine the effect of drugs in the context of a network of relevant protein regulatory metabolic interactions resulting in the development of a drug that would hit multiple targets selected in such a way as to decrease network integrity and so completely disrupt the functioning of the network. The screening of a compound to quickly identify the proteins it interacts with gives us all the necessary tools to identify and repair the deregulated biological pathway causing the disease